1-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 1-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 1-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 1-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C23H25ClN4O5 MolecularWeight: 472.9214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC(C)C)Cl

InChI

InChI=1S/C23H25ClN4O5/c1-13(2)10-27-21-20(26(12-25-21)5-6-32-4)22(30)28(23(27)31)11-15-8-19(29)33-18-7-14(3)17(24)9-16(15)18/h7-9,12-13H,5-6,10-11H2,1-4H3